Geometry & MOs

Info

ID:	313946
PubChem CID:	126619163
Reduced:	ClN3O3C23H30 (1)
Stoich.:	AB3C3D23E30 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-112.12
Dipole, Da:	3.77
IP(EA), eV:	-9.06(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methyl-4-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butanoate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)Cl)COC2=NC=C3CN(CCC3=N2)CCC(=O)OC(C)(C)C

DOS

IR

Vibrations